Receptor
PDB id Resolution Class Description Source Keywords
3WBD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY SINGLE CH FRAGMENT (MAB735) COMPLEXED WITH OCTASIALIC ACID MUS MUSCULUS BETA-SANDWICH IMMUNOGLOBULIN FOLD SINGLE CHAIN FV FRAGMENTPOLYSIALIC ACID ALPHA2-8 LINKED POLYSIALIC ACID IMMUNE SY
Ref.: CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY CHAIN FV FRAGMENT COMPLEXED WITH OCTASIALIC ACID: I INTO THE BINDING PREFERENCE FOR POLYSIALIC ACID. J.BIOL.CHEM. V. 288 33784 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA SIA SIA SIA SIA SIA SIA C:1;
 Valid;
 none;
 submit data
2049.75 n/a O=C(N...
FLC A:2001;
 Invalid;
 none;
 submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WBD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY SINGLE CH FRAGMENT (MAB735) COMPLEXED WITH OCTASIALIC ACID MUS MUSCULUS BETA-SANDWICH IMMUNOGLOBULIN FOLD SINGLE CHAIN FV FRAGMENTPOLYSIALIC ACID ALPHA2-8 LINKED POLYSIALIC ACID IMMUNE SY
Ref.: CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY CHAIN FV FRAGMENT COMPLEXED WITH OCTASIALIC ACID: I INTO THE BINDING PREFERENCE FOR POLYSIALIC ACID. J.BIOL.CHEM. V. 288 33784 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIA SIA SIA SIA SIA SIA SIA; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 SLB SIA SIA SIA SIA 1 1
2 SLB SIA SIA SIA 1 1
3 SIA SIA SIA SIA SIA SIA SIA 1 1
4 SLB SIA SIA 1 1
5 SIA SIA 0.985915 1
6 SIA SIA SIA 0.729412 1
7 GAL SIA SIA 0.659574 0.981132
8 SIA CMO 0.631579 0.87037
9 BGC GAL SIA SIA 0.563636 0.981132
10 SIA 0.558442 0.826923
11 SLB 0.558442 0.826923
12 MNA 0.5375 0.851852
13 GAL SIA NGA GAL SIA SIA 0.529915 0.981132
14 GAL NGA GAL SIA SIA 0.525424 0.981132
15 GAL SIA 0.51087 0.888889
16 BGC GAL SIA NGA SIA 0.504065 0.981132
17 2FG SIA 0.494845 0.859649
18 NAG SIA 0.479592 0.910714
19 18D 0.458824 0.796296
20 42D 0.458824 0.8
21 CEQ BGC NGA GAL SIA SIA 0.455882 0.8
22 CNP 0.454545 0.767857
23 BGC CEQ GAL SLB NGA GAL SIA SIA 0.452555 0.83871
24 MUS 0.451923 0.79661
25 GAL SIA NGA 0.445455 0.962264
26 NGA GAL SIA 0.442478 0.980769
27 A2G GAL SIA 0.440367 0.962264
28 NAG GAL SIA 0.436364 0.962264
29 NGC 0.435294 0.811321
30 NGE 0.435294 0.811321
31 BGC GAL SIA 0.432432 0.907407
32 MN0 0.431818 0.818182
33 NAG 2FG SIA 0.424779 0.894737
34 GAL 5N6 0.419048 0.925926
35 GAL SIA NGA GAL SIA 0.418803 0.962264
36 SIA GAL NGA GAL 0.418803 0.962264
37 NAG FUC GAL SIA 0.416667 0.962264
38 MAG FUC GAL SIA 0.416667 0.962264
39 MBG NGC 0.413462 0.907407
40 SID 0.413043 0.785714
41 NGS GAL SIA 0.411765 0.761194
42 WIA SIA 0.407767 0.862069
43 GAL NAG GAL SIA 0.40678 0.944444
44 GAL SIA NGA GAL 0.40678 0.944444
45 GAL NGA GAL SIA 0.40678 0.962264
46 NXD 0.404255 0.793103
47 NDG GAL SIA SIA 0.403361 0.910714
48 NAG GAL SIA SIA 0.403361 0.944444
49 C5P SIA 0.403226 0.666667
50 425 0.401786 0.662338
Similar Ligands (3D)
Ligand no: 1; Ligand: SIA SIA SIA SIA SIA SIA SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WBD; Ligand: SIA SIA SIA SIA SIA SIA SIA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3wbd.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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